5-(2,5-dimethylphenyl)pentanoic acid

Systemtic Name: 5-(2,5-dimethylphenyl)pentanoic acid Openeye Name: 5-(2,5-dimethylphenyl)pentanoic acid CAS Name: 5-(2,5-dimethylphenyl)pentanoic acid IUPAC Name: 5-(2,5-dimethylphenyl)pentanoic acid Traditional Name: 5-(2,5-dimethylphenyl)valeric acid Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CCCCC(=O)O

InChI

InChI=1S/C13H18O2/c1-10-7-8-11(2)12(9-10)5-3-4-6-13(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)